N-[5-(3-fluoranylpyridin-4-yl)-3-(2-methoxyethyl)-1,3-thiazol-2-ylidene]adamantane-1-carboxamide

Systemtic Name: N-[5-(3-fluoranylpyridin-4-yl)-3-(2-methoxyethyl)-1,3-thiazol-2-ylidene]adamantane-1-carboxamide Openeye Name: N-[5-(3-fluoro-4-pyridyl)-3-(2-methoxyethyl)thiazol-2-ylidene]adamantane-1-carboxamide CAS Name: N-[5-(3-fluoro-4-pyridinyl)-3-(2-methoxyethyl)-2-thiazolylidene]-1-adamantanecarboxamide IUPAC Name: N-[5-(3-fluoropyridin-4-yl)-3-(2-methoxyethyl)-1,3-thiazol-2-ylidene]adamantane-1-carboxamide Traditional Name: N-[5-(3-fluoro-4-pyridyl)-3-(2-methoxyethyl)-4-thiazolin-2-ylidene]adamantane-1-carboxamide Formula: C22H26FN3O2S MolecularWeight: 415.524143

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C=C(SC1=NC(=O)C23CC4CC(C2)CC(C4)C3)C5=C(C=NC=C5)F

Isomeric SMILES

COCCN1C=C(SC1=NC(=O)C23CC4CC(C2)CC(C4)C3)C5=C(C=NC=C5)F

InChI

InChI=1S/C22H26FN3O2S/c1-28-5-4-26-13-19(17-2-3-24-12-18(17)23)29-21(26)25-20(27)22-9-14-6-15(10-22)8-16(7-14)11-22/h2-3,12-16H,4-11H2,1H3